Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8h8s_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 HIS 3.A O no hydrogen 2.851 N/A GLN 1.A NE2 TYR 5.A O no hydrogen 2.803 N/A TYR 5.A N HIS 3.A ND1 no hydrogen 2.938 N/A TRP 13.A N SER 11.A OG no hydrogen 3.286 N/A TRP 13.A NE1 ASP 57.A OD2 no hydrogen 2.758 N/A THR 16.A N PRO 12.A O no hydrogen 3.040 N/A THR 16.A OG1 TRP 13.A O no hydrogen 3.247 N/A THR 16.A OG1 THR 50.A OG1 no hydrogen 2.805 N/A GLY 17.A N TRP 13.A O no hydrogen 2.764 N/A ALA 18.A N PRO 14.A O no hydrogen 2.913 N/A LEU 19.A N LEU 15.A O no hydrogen 2.910 N/A SER 20.A N.A THR 16.A O no hydrogen 2.873 N/A SER 20.A N.B THR 16.A O no hydrogen 2.848 N/A SER 20.A OG.A GLY 17.A O no hydrogen 2.764 N/A SER 20.A OG.A ASN 47.A OD1 no hydrogen 3.351 N/A SER 20.A OG.B THR 16.A O no hydrogen 2.773 N/A SER 20.A OG.B THR 46.A OG1 no hydrogen 2.711 N/A ALA 21.A N GLY 17.A O no hydrogen 2.978 N/A LEU 22.A N ALA 18.A O no hydrogen 3.105 N/A LEU 23.A N LEU 19.A O no hydrogen 2.841 N/A MET 24.A N SER 20.A O.A no hydrogen 2.820 N/A MET 24.A N SER 20.A O.B no hydrogen 2.785 N/A THR 25.A N ALA 21.A O no hydrogen 3.033 N/A THR 25.A OG1 ALA 21.A O no hydrogen 2.843 N/A THR 25.A OG1 LEU 22.A O no hydrogen 3.206 N/A SER 26.A N LEU 22.A O no hydrogen 2.899 N/A SER 26.A OG LEU 22.A O no hydrogen 2.676 N/A SER 26.A OG LEU 23.A O no hydrogen 3.561 N/A GLY 27.A N LEU 23.A O no hydrogen 2.773 N/A LEU 28.A N MET 24.A O no hydrogen 2.833 N/A THR 29.A N THR 25.A O no hydrogen 3.022 N/A THR 29.A OG1 THR 25.A O no hydrogen 2.928 N/A MET 30.A N.A SER 26.A O no hydrogen 2.892 N/A MET 30.A N.B SER 26.A O no hydrogen 2.924 N/A TRP 31.A N GLY 27.A O no hydrogen 2.888 N/A PHE 32.A N LEU 28.A O no hydrogen 2.863 N/A HIS 33.A N THR 29.A O no hydrogen 2.923 N/A PHE 34.A N MET 30.A O.A no hydrogen 2.848 N/A PHE 34.A N MET 30.A O.B no hydrogen 2.580 N/A SER 36.A N MET 30.A O.A no hydrogen 3.302 N/A MET 41.A N.A MET 37.A O no hydrogen 2.958 N/A MET 41.A N.B MET 37.A O no hydrogen 2.934 N/A ILE 42.A N THR 38.A O no hydrogen 3.120 N/A GLY 43.A N LEU 39.A O no hydrogen 2.874 N/A LEU 44.A N LEU 40.A O no hydrogen 2.886 N/A THR 45.A N MET 41.A O.A no hydrogen 3.045 N/A THR 45.A N MET 41.A O.B no hydrogen 3.016 N/A THR 45.A OG1 MET 41.A O.A no hydrogen 2.749 N/A THR 45.A OG1 MET 41.A O.B no hydrogen 2.827 N/A THR 46.A N ILE 42.A O no hydrogen 2.882 N/A THR 46.A OG1 SER 20.A OG.B no hydrogen 2.711 N/A THR 46.A OG1 ILE 42.A O no hydrogen 3.236 N/A THR 46.A OG1 GLY 43.A O no hydrogen 3.167 N/A ASN 47.A N GLY 43.A O no hydrogen 2.804 N/A MET 48.A N.A LEU 44.A O no hydrogen 2.979 N/A MET 48.A N.B LEU 44.A O no hydrogen 2.993 N/A LEU 49.A N THR 45.A O no hydrogen 2.963 N/A THR 50.A N THR 46.A O no hydrogen 2.889 N/A THR 50.A OG1 THR 16.A OG1 no hydrogen 2.805 N/A THR 50.A OG1 THR 46.A O no hydrogen 2.785 N/A MET 51.A N.A ASN 47.A O no hydrogen 3.018 N/A MET 51.A N.B ASN 47.A O no hydrogen 3.019 N/A TYR 52.A N MET 48.A O.A no hydrogen 2.954 N/A TYR 52.A N MET 48.A O.B no hydrogen 2.924 N/A GLN 53.A N LEU 49.A O no hydrogen 2.978 N/A GLN 53.A NE2 LEU 49.A O no hydrogen 2.916 N/A TRP 54.A N THR 50.A O no hydrogen 2.835 N/A TRP 55.A N MET 51.A O.A no hydrogen 2.985 N/A TRP 55.A N MET 51.A O.B no hydrogen 3.061 N/A ARG 56.A N TYR 52.A O no hydrogen 2.874 N/A ARG 56.A NE ASP 57.A OD1 no hydrogen 2.959 N/A ARG 56.A NH2 ASP 57.A OD1 no hydrogen 2.836 N/A ASP 57.A N GLN 53.A O no hydrogen 2.939 N/A VAL 58.A N TRP 54.A O no hydrogen 3.025 N/A ILE 59.A N TRP 55.A O no hydrogen 3.031 N/A ARG 60.A N ARG 56.A O no hydrogen 2.915 N/A GLU 61.A N ASP 57.A O no hydrogen 2.831 N/A SER 62.A N VAL 58.A O no hydrogen 3.085 N/A SER 62.A N ILE 59.A O no hydrogen 3.233 N/A SER 62.A OG VAL 58.A O no hydrogen 2.703 N/A SER 62.A OG ILE 59.A O no hydrogen 3.318 N/A THR 63.A N ILE 59.A O no hydrogen 2.938 N/A PHE 64.A N ARG 60.A O no hydrogen 3.244 N/A GLY 66.A N SER 62.A O no hydrogen 3.053 N/A HIS 67.A N GLU 61.A O no hydrogen 2.899 N/A THR 69.A N HIS 67.A O no hydrogen 3.025 N/A THR 69.A OG1 ALA 4.A O no hydrogen 2.669 N/A VAL 72.A N THR 69.A OG1 no hydrogen 3.388 N/A GLN 73.A N THR 69.A O no hydrogen 2.955 N/A LYS 74.A N PRO 70.A O no hydrogen 2.865 N/A GLY 75.A N ALA 71.A O no hydrogen 3.166 N/A LEU 76.A N VAL 72.A O no hydrogen 3.025 N/A ARG 77.A N GLN 73.A O no hydrogen 2.904 N/A ARG 77.A NH1 GLU 233.A OE2 no hydrogen 2.740 N/A ARG 77.A NH2 GLU 233.A OE1 no hydrogen 2.638 N/A ARG 77.A NH2 GLU 233.A OE2 no hydrogen 3.397 N/A TYR 78.A N LYS 74.A O no hydrogen 3.056 N/A GLY 79.A N GLY 75.A O no hydrogen 2.861 N/A MET 80.A N LEU 76.A O no hydrogen 2.918 N/A ILE 81.A N ARG 77.A O no hydrogen 3.035 N/A LEU 82.A N TYR 78.A O no hydrogen 2.924 N/A PHE 83.A N GLY 79.A O no hydrogen 2.932 N/A ILE 84.A N MET 80.A O no hydrogen 2.940 N/A ILE 85.A N ILE 81.A O no hydrogen 2.908 N/A SER 86.A N LEU 82.A O no hydrogen 2.997 N/A SER 86.A OG PHE 83.A O no hydrogen 2.681 N/A GLU 87.A N PHE 83.A O no hydrogen 3.109 N/A VAL 88.A N ILE 84.A O no hydrogen 2.833 N/A LEU 89.A N ILE 85.A O no hydrogen 3.054 N/A PHE 90.A N SER 86.A O no hydrogen 3.022 N/A PHE 91.A N GLU 87.A O no hydrogen 3.116 N/A THR 92.A N VAL 88.A O no hydrogen 2.880 N/A THR 92.A OG1 VAL 88.A O no hydrogen 2.911 N/A GLY 93.A N LEU 89.A O no hydrogen 3.290 N/A GLY 93.A N PHE 90.A O no hydrogen 3.133 N/A PHE 95.A N PHE 91.A O no hydrogen 2.963 N/A TRP 96.A N THR 92.A O no hydrogen 2.826 N/A ALA 97.A N GLY 93.A O no hydrogen 3.039 N/A PHE 98.A N PHE 94.A O no hydrogen 2.947 N/A TYR 99.A N PHE 95.A O no hydrogen 2.899 N/A TYR 99.A OH SER 252.A OG no hydrogen 2.717 N/A HIS 100.A N TRP 96.A O no hydrogen 2.869 N/A SER 101.A N ALA 97.A O no hydrogen 3.108 N/A SER 101.A OG ALA 97.A O no hydrogen 2.904 N/A SER 102.A N PHE 98.A O no hydrogen 2.954 N/A SER 102.A OG PHE 98.A O no hydrogen 2.810 N/A LEU 103.A N TYR 99.A O no hydrogen 2.914 N/A THR 106.A OG1 GLU 108.A OE1 no hydrogen 2.834 N/A GLU 108.A N GLU 108.A OE1 no hydrogen 2.839 N/A LEU 109.A N THR 106.A O no hydrogen 3.044 N/A GLY 110.A N PRO 107.A O no hydrogen 2.864 N/A GLY 111.A N THR 106.A O no hydrogen 2.980 N/A CYS 112.A SG LEU 109.A O no hydrogen 3.777 N/A CYS 112.A SG GLY 110.A O no hydrogen 3.815 N/A CYS 112.A SG PRO 114.A O no hydrogen 3.608 N/A CYS 112.A SG THR 116.A OG1 no hydrogen 3.744 N/A THR 116.A N LEU 109.A O no hydrogen 2.956 N/A THR 116.A OG1 LEU 109.A O no hydrogen 3.405 N/A ILE 118.A N PRO 115.A O no hydrogen 3.095 N/A LEU 124.A N ASN 122.A OD1 no hydrogen 2.958 N/A GLU 125.A N ASN 122.A O no hydrogen 3.142 N/A LEU 129.A N GLU 125.A O no hydrogen 3.176 N/A ASN 130.A N VAL 126.A O no hydrogen 2.801 N/A ASN 130.A ND2 GLN 174.A OE1 no hydrogen 3.497 N/A THR 131.A N PRO 127.A O no hydrogen 3.066 N/A THR 131.A OG1 PRO 127.A O no hydrogen 2.822 N/A SER 132.A N LEU 128.A O no hydrogen 2.998 N/A SER 132.A OG LEU 129.A O no hydrogen 2.694 N/A VAL 133.A N LEU 129.A O no hydrogen 2.895 N/A LEU 134.A N ASN 130.A O no hydrogen 3.013 N/A LEU 135.A N THR 131.A O no hydrogen 2.941 N/A ALA 136.A N SER 132.A O no hydrogen 2.884 N/A SER 137.A N VAL 133.A O no hydrogen 2.963 N/A SER 137.A OG LEU 134.A O no hydrogen 2.634 N/A SER 137.A OG ASP 243.A OD2.B no hydrogen 3.370 N/A GLY 138.A N LEU 134.A O no hydrogen 3.064 N/A GLY 138.A N LEU 135.A O no hydrogen 2.993 N/A VAL 139.A N LEU 135.A O no hydrogen 3.214 N/A SER 140.A N ALA 136.A O no hydrogen 2.941 N/A SER 140.A OG ALA 136.A O no hydrogen 3.485 N/A SER 140.A OG SER 137.A O no hydrogen 3.225 N/A SER 140.A OG THR 163.A OG1 no hydrogen 2.794 N/A ILE 141.A N.A SER 137.A O no hydrogen 3.019 N/A ILE 141.A N.B SER 137.A O no hydrogen 3.021 N/A THR 142.A N GLY 138.A O no hydrogen 3.374 N/A THR 142.A OG1 GLY 138.A O no hydrogen 2.728 N/A TRP 143.A N VAL 139.A O no hydrogen 2.983 N/A ALA 144.A N SER 140.A O no hydrogen 2.866 N/A HIS 145.A N ILE 141.A O.A no hydrogen 2.943 N/A HIS 145.A N ILE 141.A O.B no hydrogen 2.960 N/A HIS 146.A N THR 142.A O no hydrogen 3.006 N/A SER 147.A N TRP 143.A O no hydrogen 2.894 N/A SER 147.A OG TRP 143.A O no hydrogen 3.236 N/A LEU 148.A N ALA 144.A O no hydrogen 2.988 N/A MET 149.A N HIS 145.A O no hydrogen 2.959 N/A GLU 150.A N HIS 146.A O no hydrogen 2.946 N/A GLY 151.A N LEU 148.A O no hydrogen 3.016 N/A ASP 152.A N SER 147.A O no hydrogen 2.802 N/A ARG 153.A NH1 GLN 219.A O no hydrogen 2.864 N/A ARG 153.A NH2 LEU 220.A O no hydrogen 2.959 N/A HIS 155.A N ASP 152.A OD1 no hydrogen 3.093 N/A HIS 155.A ND1 ASP 152.A OD2 no hydrogen 2.616 N/A MET 156.A N ASP 152.A O no hydrogen 3.087 N/A LEU 157.A N ARG 153.A O no hydrogen 3.035 N/A GLN 158.A N.A LYS 154.A O no hydrogen 2.964 N/A GLN 158.A N.B LYS 154.A O no hydrogen 2.933 N/A ALA 159.A N HIS 155.A O no hydrogen 2.939 N/A LEU 160.A N MET 156.A O no hydrogen 2.920 N/A PHE 161.A N LEU 157.A O no hydrogen 2.878 N/A ILE 162.A N GLN 158.A O.A no hydrogen 2.918 N/A ILE 162.A N GLN 158.A O.B no hydrogen 2.953 N/A THR 163.A N ALA 159.A O no hydrogen 2.969 N/A THR 163.A OG1 SER 140.A OG no hydrogen 2.794 N/A THR 163.A OG1 ALA 159.A O no hydrogen 2.769 N/A ILE 164.A N LEU 160.A O no hydrogen 2.925 N/A THR 165.A N PHE 161.A O no hydrogen 2.867 N/A THR 165.A OG1 PHE 161.A O no hydrogen 2.904 N/A LEU 166.A N ILE 162.A O no hydrogen 2.990 N/A GLY 167.A N THR 163.A O no hydrogen 3.025 N/A VAL 168.A N ILE 164.A O no hydrogen 2.913 N/A TYR 169.A N THR 165.A O no hydrogen 2.824 N/A PHE 170.A N LEU 166.A O no hydrogen 2.899 N/A THR 171.A N GLY 167.A O no hydrogen 3.110 N/A THR 171.A OG1 GLY 167.A O no hydrogen 3.000 N/A LEU 172.A N VAL 168.A O no hydrogen 2.875 N/A LEU 173.A N TYR 169.A O no hydrogen 2.856 N/A GLN 174.A N PHE 170.A O no hydrogen 2.793 N/A GLN 174.A NE2 TYR 254.A OH no hydrogen 3.291 N/A ALA 175.A N THR 171.A O no hydrogen 2.919 N/A SER 176.A N LEU 172.A O no hydrogen 3.026 N/A GLU 177.A N.A LEU 173.A O no hydrogen 2.887 N/A GLU 177.A N.B LEU 173.A O no hydrogen 2.866 N/A TYR 178.A N GLN 174.A O no hydrogen 2.832 N/A TYR 178.A OH THR 198.A OG1 no hydrogen 2.679 N/A TYR 179.A N ALA 175.A O no hydrogen 3.110 N/A GLU 180.A N SER 176.A O no hydrogen 2.882 N/A ALA 181.A N GLU 177.A O.A no hydrogen 2.859 N/A ALA 181.A N GLU 177.A O.B no hydrogen 2.804 N/A THR 184.A N ASP 187.A OD2 no hydrogen 2.996 N/A THR 184.A OG1 SER 186.A OG no hydrogen 2.860 N/A SER 186.A N THR 184.A OG1 no hydrogen 3.100 N/A SER 186.A OG THR 184.A OG1 no hydrogen 2.860 N/A ASP 187.A N THR 184.A O no hydrogen 3.073 N/A GLY 191.A N ASP 187.A O no hydrogen 3.094 N/A SER 192.A N GLY 188.A O no hydrogen 2.981 N/A SER 192.A OG GLY 188.A O no hydrogen 2.794 N/A THR 193.A N VAL 189.A O no hydrogen 2.907 N/A THR 193.A OG1 VAL 189.A O no hydrogen 2.813 N/A THR 193.A OG1 TYR 190.A O no hydrogen 3.171 N/A PHE 194.A N TYR 190.A O no hydrogen 3.000 N/A PHE 195.A N GLY 191.A O no hydrogen 2.938 N/A VAL 196.A N SER 192.A O no hydrogen 3.018 N/A ALA 197.A N THR 193.A O no hydrogen 3.076 N/A THR 198.A N PHE 194.A O no hydrogen 2.946 N/A THR 198.A OG1 TYR 178.A OH no hydrogen 2.679 N/A THR 198.A OG1 PHE 194.A O no hydrogen 2.687 N/A GLY 199.A N PHE 195.A O no hydrogen 2.745 N/A PHE 200.A N VAL 196.A O no hydrogen 2.926 N/A HIS 201.A N ALA 197.A O no hydrogen 3.085 N/A HIS 201.A NE2 VAL 242.A O no hydrogen 2.789 N/A GLY 202.A N THR 198.A O no hydrogen 2.818 N/A LEU 203.A N GLY 199.A O no hydrogen 2.947 N/A HIS 204.A N PHE 200.A O no hydrogen 2.994 N/A HIS 204.A ND1 PHE 200.A O no hydrogen 2.729 N/A HIS 204.A NE2 GLU 87.A OE1 no hydrogen 2.574 N/A VAL 205.A N HIS 201.A O no hydrogen 2.895 N/A ILE 206.A N GLY 202.A O no hydrogen 2.945 N/A ILE 207.A N LEU 203.A O no hydrogen 2.862 N/A GLY 208.A N HIS 204.A O no hydrogen 2.778 N/A SER 209.A N VAL 205.A O no hydrogen 2.808 N/A SER 209.A OG VAL 205.A O no hydrogen 2.797 N/A THR 210.A N ILE 206.A O no hydrogen 2.944 N/A THR 210.A OG1 ILE 206.A O no hydrogen 2.841 N/A PHE 211.A N ILE 207.A O no hydrogen 2.952 N/A LEU 212.A N GLY 208.A O no hydrogen 2.967 N/A ILE 213.A N SER 209.A O no hydrogen 2.874 N/A VAL 214.A N THR 210.A O no hydrogen 2.886 N/A CYS 215.A N PHE 211.A O no hydrogen 2.934 N/A CYS 215.A SG PHE 211.A O no hydrogen 3.448 N/A CYS 215.A SG GLY 231.A O no hydrogen 3.570 N/A PHE 216.A N LEU 212.A O no hydrogen 2.831 N/A PHE 217.A N ILE 213.A O no hydrogen 3.004 N/A ARG 218.A N VAL 214.A O no hydrogen 2.930 N/A ARG 218.A NE HIS 223.A ND1 no hydrogen 3.013 N/A ARG 218.A NH2 THR 63.A OG1 no hydrogen 2.811 N/A GLN 219.A N CYS 215.A O no hydrogen 2.834 N/A LEU 220.A N PHE 216.A O no hydrogen 2.884 N/A LYS 221.A N PHE 217.A O no hydrogen 2.998 N/A PHE 222.A N GLN 219.A O no hydrogen 2.959 N/A HIS 223.A N ARG 218.A O no hydrogen 2.999 N/A THR 225.A N HIS 228.A O no hydrogen 3.075 N/A THR 225.A OG1 HIS 228.A O no hydrogen 3.536 N/A ASN 227.A N THR 225.A OG1 no hydrogen 3.313 N/A HIS 228.A N THR 225.A OG1 no hydrogen 2.840 N/A HIS 229.A ND1 THR 225.A O no hydrogen 2.886 N/A GLU 233.A N HIS 229.A O no hydrogen 3.103 N/A ALA 234.A N PHE 230.A O no hydrogen 2.780 N/A ALA 235.A N GLY 231.A O no hydrogen 2.980 N/A ALA 236.A N PHE 232.A O no hydrogen 2.897 N/A TRP 237.A N GLU 233.A O no hydrogen 2.809 N/A TYR 238.A N ALA 234.A O no hydrogen 2.928 N/A TYR 238.A OH GLU 87.A OE2 no hydrogen 3.061 N/A TRP 239.A N ALA 235.A O no hydrogen 2.880 N/A TRP 239.A NE1 SER 137.A OG no hydrogen 2.779 N/A HIS 240.A N ALA 236.A O no hydrogen 2.873 N/A PHE 241.A N TRP 237.A O no hydrogen 2.972 N/A VAL 242.A N TYR 238.A O no hydrogen 2.935 N/A ASP 243.A N.A TRP 239.A O no hydrogen 2.960 N/A VAL 244.A N HIS 240.A O no hydrogen 2.847 N/A VAL 245.A N PHE 241.A O no hydrogen 2.895 N/A TRP 246.A N VAL 242.A O no hydrogen 3.086 N/A TRP 246.A NE1 THR 131.A OG1 no hydrogen 2.840 N/A LEU 247.A N ASP 243.A O.A no hydrogen 2.970 N/A LEU 247.A N ASP 243.A O.B no hydrogen 3.241 N/A PHE 248.A N VAL 244.A O no hydrogen 3.075 N/A LEU 249.A N VAL 245.A O no hydrogen 2.876 N/A TYR 250.A N TRP 246.A O no hydrogen 2.749 N/A TYR 250.A OH PRO 123.A O no hydrogen 2.729 N/A VAL 251.A N LEU 247.A O no hydrogen 2.980 N/A SER 252.A N PHE 248.A O no hydrogen 2.913 N/A SER 252.A OG TYR 99.A OH no hydrogen 2.717 N/A SER 252.A OG PHE 248.A O no hydrogen 2.893 N/A ILE 253.A N LEU 249.A O no hydrogen 2.794 N/A TYR 254.A N LEU 249.A O no hydrogen 3.386 N/A TRP 255.A N TYR 250.A O no hydrogen 2.890 N/A TRP 256.A N VAL 251.A O no hydrogen 2.815 N/A GLY 257.A N SER 252.A O no hydrogen 2.874 N/A SER 258.A N TRP 255.A O no hydrogen 2.984 N/A SER 258.A OG TRP 255.A O no hydrogen 2.649 N/A